SCHEMBL29969353

SCHEMBL29969353

CN(C)CCCN(C)c1ncc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
BDKRB1 P46663 3/20 0.35
BDKRB2 P30411 1/20 0.35
NPSR1 Q6W5P4 2/20 0.33
GAA P10253 1/20 0.33
VCAM1 P19320 1/20 0.33
MAPT P10636 3/20 0.33
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD2 P14416 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
CHRM3 P20309 1/20 0.32
MAOA P21397 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADORA2A P29274 1/20 0.32
ADRA1A P35348 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29970031 0.92 ALDH1A1 (0.37) ALDH1A1KDM4ESMN1; SMN2NPSR1GAA
SCHEMBL2711564 0.86 VCAM1 (0.37) ALDH1A1KDM4ESMN1; SMN2GAAVCAM1
SCHEMBL26590282 0.86 ALDH1A1 (0.36) ALDH1A1KDM4ESMN1; SMN2NPSR1GAA
SCHEMBL2968972 0.81 CYP3A4 (0.44) ALDH1A1KDM4ESMN1; SMN2GAAMAPT
SCHEMBL857374 0.79 ALDH1A1 (0.45) ALDH1A1KDM4ESMN1; SMN2GAAMAPT
SCHEMBL25355126 0.78 KDM4E (0.38) ALDH1A1KDM4ESMN1; SMN2GAAMAPT
SCHEMBL29970941 0.78 KDM4E (0.38) ALDH1A1KDM4ESMN1; SMN2GAAMAPT
SCHEMBL29969078 0.77 ALDH1A1 (0.41) ALDH1A1KDM4ESMN1; SMN2GAAMAPT
SCHEMBL26131845 0.77 ALDH1A1 (0.41) ALDH1A1KDM4ESMN1; SMN2GAAMAPT
SCHEMBL29969782 0.76 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2NPSR1MAPTCHRM2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy XRAD THERAPEUTICS, INC. (US) 2025-01-07 US disclosed
EP-4327877-A2 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRad Therapeutics, Inc. (US) 2024-02-28 EP disclosed
EP-3784671-B1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD THERAPEUTICS INC (US) 2023-10-11 EP disclosed
US-20220315606-A1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD HOLDING CAYMAN LIMITED (KY) 2022-10-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220315606-A1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY ATM, CHEK2, CHEK1 ALDH1A1 3354/4885KDM4E 1653/4885SMN1; SMN2 2359/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 ALDH1A1 3354/4885KDM4E 1653/4885SMN1; SMN2 2359/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.